[2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine

C14H19F3N2 — CID 102709208

IUPAC[2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1cnccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2/c15-14(16,17)13-6-7-19-9-12(13)11-5-3-1-2-4-10(11)8-18/h6-7,9-11H,1-5,8,18H2
InChIKeyIIDALFXHCBMKPA-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.72
Rot. Bonds2

About [2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine

[2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine (PubChem CID 102709208) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine
PubChem CID102709208
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name[2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1cnccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2/c15-14(16,17)13-6-7-19-9-12(13)11-5-3-1-2-4-10(11)8-18/h6-7,9-11H,1-5,8,18H2
InChIKeyIIDALFXHCBMKPA-UHFFFAOYSA-N
XLogP3.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine?
The IUPAC name of [2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine (CID 102709208) is [2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine.
What is the SMILES notation for [2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine?
The canonical SMILES for [2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine is NCC1CCCCCC1c1cnccc1C(F)(F)F.
What is the InChIKey of [2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine?
The InChIKey is IIDALFXHCBMKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)13-6-7-19-9-12(13)11-5-3-1-2-4-10(11)8-18/h6-7,9-11H,1-5,8,18H2.
What are the key properties of [2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine?
[2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine has a molecular weight of 272.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine is sourced from PubChem (CID 102709208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).